UCSF

ZINC39927992

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 18 Yes

Popular Name: ethyl 4-(4-methoxyphenyl)-1,3-thiazole-2-carboxylate ethyl 4-(4-methoxyphenyl)-1,3-th…

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CAS Numbers: 886366-42-3 , [886366-42-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 6.16 -11.67 0 4 0 48 263.318 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 8.000000000000000e+001 - 8.200000000000000e+001 KeyOrganics
melting_point 80 - 82 KeyOrganics
MP 80-82° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )